Ab initio study on hydrogen interaction with calcium decorated silicon carbide nanotube

• Main Authors: Gueriba, Jessiel Siaron, Padama, Allan Abraham Bustria, Villagracia, Al Rey C., David, Melanie Y., Arboleda, Nelson B., Jr., Kasai, Hideaki
• Format: text
• Published: Animo Repository 2017
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/838; https://animorepository.dlsu.edu.ph/context/faculty_research/article/1837/type/native/viewcontent
• Institution: De La Salle University

© 2017 Hydrogen Energy Publications LLC Ab initio study on the viability of calcium decorated silicon carbide nanotube as a hydrogen storage material was conducted. Calcium strongly adsorbs on silicon carbide nanotube (SiCNT) with a significant binding energy of −2.83 eV, thus calcium's low coh...